5-[cyclohexyl(hydroxy)methyl]-1,3-dihydrobenzimidazol-2-one

C14H18N2O2 — CID 61087315

IUPAC5-[cyclohexyl(hydroxy)methyl]-1,3-dihydrobenzimidazol-2-one
SMILESO=c1[nH]c2ccc(C(O)C3CCCCC3)cc2[nH]1
InChIInChI=1S/C14H18N2O2/c17-13(9-4-2-1-3-5-9)10-6-7-11-12(8-10)16-14(18)15-11/h6-9,13,17H,1-5H2,(H2,15,16,18)
InChIKeyQMZLXMNATNPUSS-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.47
Rot. Bonds2

About 5-[cyclohexyl(hydroxy)methyl]-1,3-dihydrobenzimidazol-2-one

5-[cyclohexyl(hydroxy)methyl]-1,3-dihydrobenzimidazol-2-one (PubChem CID 61087315) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 5-[cyclohexyl(hydroxy)methyl]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-[cyclohexyl(hydroxy)methyl]-1,3-dihydrobenzimidazol-2-one
PubChem CID61087315
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name5-[cyclohexyl(hydroxy)methyl]-1,3-dihydrobenzimidazol-2-one
SMILESO=c1[nH]c2ccc(C(O)C3CCCCC3)cc2[nH]1
InChIInChI=1S/C14H18N2O2/c17-13(9-4-2-1-3-5-9)10-6-7-11-12(8-10)16-14(18)15-11/h6-9,13,17H,1-5H2,(H2,15,16,18)
InChIKeyQMZLXMNATNPUSS-UHFFFAOYSA-N
XLogP2.47
TPSA68.88 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

5-[cyclooctyl(hydroxy)methyl]-1,3-dihydrobenzimidazol-2-one
CID 65023133
2-cyclohexyl-2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetic acid
CID 82502145
5-[hydroxy(oxan-2-yl)methyl]-1,3-dihydrobenzimidazol-2-one
CID 62213913
5-(2-amino-1-cyclohexylethyl)-1,3-dihydrobenzimidazol-2-one
CID 82500369
5-[hydroxy-(2,2,3,3-tetramethylcyclopropyl)methyl]-1,3-dihydrobenzimidazol-2-one
CID 66475420
5-[cyclobutyl(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one
CID 43483595
6-[bromo(cyclohexyl)methyl]-1,4-dihydroquinoxaline-2,3-dione
CID 61098910
1-cyclohexyl-3-[(1R)-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]urea
CID 94799266
5-[amino(oxan-2-yl)methyl]-1,3-dihydrobenzimidazol-2-one
CID 62213868
5-(1-hydroxy-2-sulfanylethyl)-1,3-dihydrobenzimidazol-2-one
CID 116830041
5-[amino(azetidin-3-yl)methyl]-1,3-dihydrobenzimidazol-2-one
CID 116935370
6-[hydroxy(pyrrolidin-2-yl)methyl]-1,4-dihydroquinoxaline-2,3-dione
CID 64868082

Frequently Asked Questions

What is the IUPAC name of 5-[cyclohexyl(hydroxy)methyl]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-[cyclohexyl(hydroxy)methyl]-1,3-dihydrobenzimidazol-2-one (CID 61087315) is 5-[cyclohexyl(hydroxy)methyl]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-[cyclohexyl(hydroxy)methyl]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-[cyclohexyl(hydroxy)methyl]-1,3-dihydrobenzimidazol-2-one is O=c1[nH]c2ccc(C(O)C3CCCCC3)cc2[nH]1.
What is the InChIKey of 5-[cyclohexyl(hydroxy)methyl]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is QMZLXMNATNPUSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c17-13(9-4-2-1-3-5-9)10-6-7-11-12(8-10)16-14(18)15-11/h6-9,13,17H,1-5H2,(H2,15,16,18).
What are the key properties of 5-[cyclohexyl(hydroxy)methyl]-1,3-dihydrobenzimidazol-2-one?
5-[cyclohexyl(hydroxy)methyl]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 246.31 g/mol, XLogP of 2.47, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[cyclohexyl(hydroxy)methyl]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 61087315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).